SCHEMBL30864091

SCHEMBL30864091

O=CCCC1CCN(C(=O)c2ccc(F)c(N3CCC(=O)NC3=O)c2)CC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 4/20 0.40
▸ MGLL Q99685 5/20 0.38
▸ PDE4B Q07343 2/20 0.38
▸ HTR1A P08908 1/20 0.37
▸ FAAH O00519 2/20 0.36
▸ FFAR4 Q5NUL3 1/20 0.36
▸ PDGFRB P09619 1/20 0.36
▸ KDR P35968 1/20 0.36
▸ F2 P00734 1/20 0.35
▸ PRSS1 P07477 1/20 0.35
▸ PRSS2 P07478 1/20 0.35
▸ PRSS3 P35030 1/20 0.35
▸ ST14 Q9Y5Y6 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29201762 1.00 HSD11B1 (0.40) HSD11B1MGLLPDE4BHTR1AFAAH
SCHEMBL30995326 0.89 DDB1 (0.42) HSD11B1MEN1KMT2A
SCHEMBL29201772 0.89 HSD11B1 (0.39) HSD11B1MGLL
SCHEMBL30066197 0.87 PDE4B (0.46) HSD11B1MGLLPDE4BHTR1AFAAH
SCHEMBL24670709 0.87 PDE4B (0.46) HSD11B1MGLLPDE4BHTR1AFAAH
SCHEMBL30864000 0.86 NR3C1 (0.41) HSD11B1
SCHEMBL29201735 0.86 NR3C1 (0.41) HSD11B1
SCHEMBL24670711 0.85 HSD11B1 (0.43) HSD11B1MGLLFAAHMEN1KMT2A
SCHEMBL29201724 0.83 HTR1A (0.38) HSD11B1MGLLHTR1A
SCHEMBL24671840 0.82 HSD11B1 (0.39) HSD11B1MGLLPDE4BFAAH

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117917416-A KRAS G12D degradation agent and preparation method and application thereof 上海领泰生物医药科技有限公司 2024-04-23 — — CN disclosed
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